CC1CC2=CC3=C(C=C2C(=NN1C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-])OCO3
Name: 8-methyl-5-(4-nitrophenyl)-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carbothioamide
SMILES: CC1CC2=CC3=C(C=C2C(=NN1C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-])OCO3

Molecular Processing

Molecular formula
C18H16N4O4S
Molecular weight
384.42
Exact mass
384.0892
XLogP
2.57
TPSA
103.22
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
103.09

Supplementary Information

InChIKey: JAROUUAFUALQND-UHFFFAOYSA-N
Synonyms
JAROUUAFUALQND-UHFFFAOYSA-N(+/-)-8-Methyl-5-(4-nitrophenyl)-7-thiocarbamoyl-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine(+/-)-8-Methyl-5-(4-nitrophenyl)-7-thiocarbamoyl-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2.3]benzodiazepine
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Involved in 10 reactions→

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